MMsINC Database Search


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MMsINC code: MMs00059812

Type: Neutral
Formula: C₇H₇Cl₂NO₂S

SMILES:

Clc1cc(Cl)ccc1NS(=O)(=O)C

InChI:

InChI=1/C7H7Cl2NO2S/c1-13(11,12)10-7-3-2-5(8)4-6(7)9/h2-4,10H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.1721 kcal/mol

Physical Properties
Molecular Weight: 240.11 g/mol	logS: -2.69144	SlogP: 2.3649	Reactive groups: 0

Topological Properties
Globularity: 0.168985	Sterimol/B1: 1.98163	Sterimol/B2: 3.48448	Sterimol/B3: 4.27546
Sterimol/B4: 5.43998	Sterimol/L: 11.7035

Surface and Volume Properties
Accessible surface: 383.72	Positive charged surface: 127.745	Negative charged surface: 255.975	Volume: 180.125
Hydrophobic surface: 298.976	Hydrophilic surface: 84.744

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.